N-(3-aminopropyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide

C10H21F3N2O2S — CID 83068088

IUPACN-(3-aminopropyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
SMILESCCCN(CCCN)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-2-7-15(8-4-6-14)18(16,17)9-3-5-10(11,12)13/h2-9,14H2,1H3
InChIKeyOOXLSLIEXCFDAH-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.72
Rot. Bonds9

About N-(3-aminopropyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide

N-(3-aminopropyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide (PubChem CID 83068088) has the molecular formula C10H21F3N2O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
PubChem CID83068088
Molecular FormulaC10H21F3N2O2S
Molecular Weight290.35 g/mol
Exact Mass290.13
IUPAC NameN-(3-aminopropyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
SMILESCCCN(CCCN)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-2-7-15(8-4-6-14)18(16,17)9-3-5-10(11,12)13/h2-9,14H2,1H3
InChIKeyOOXLSLIEXCFDAH-UHFFFAOYSA-N
XLogP1.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide (CID 83068088) is N-(3-aminopropyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide is CCCN(CCCN)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(3-aminopropyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
The InChIKey is OOXLSLIEXCFDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2S/c1-2-7-15(8-4-6-14)18(16,17)9-3-5-10(11,12)13/h2-9,14H2,1H3.
What are the key properties of N-(3-aminopropyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
N-(3-aminopropyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide is sourced from PubChem (CID 83068088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).